Geometry & MOs

Info

ID:	167791
PubChem CID:	74876552
Reduced:	NO2C13H19 (1)
Stoich.:	AB2C13D19 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-50.15
Dipole, Da:	2.84
IP(EA), eV:	-8.56(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-but-2-enylsulfanyl-2-cyclopropyl-6-methylpyrimidine-5-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC(C)C)C(=NO)C

DOS

IR

Vibrations